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Details of 4-Methyl-2-Oxovaleric acid

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Role Metabolite
MPIMP IDM000441
stereoisomer 
isotopomerambient
formulaC6H10O3
molecular mass130.142
monoisotopic mass130.06300
InChIInChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyBKAJNAXTPSGJCU-UHFFFAOYSA-N
classAcid (Oxo)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27fc872d44-3e9a-431d-9f84-6fef64bfef19%27)

Synonyms of 4-Methyl-2-Oxovaleric acid

propertyvalue
BRENDA21707
CAS816-66-0
ChEBI IDChEBI:48430
ChEBI ontologyhas functional parent 2-oxopentanoic acid
ChEBI ontologyis a 2-oxo monocarboxylic acid
ChEBI ontologyis conjugate acid of 4-methyl-2-oxopentanoate
ChemSpider ID69
PubChem CID70
PubChem SID92298012
synonym2,4,5-Trifluorophenyl isocyanate
20 synonym(s)

Derivatives of 4-Methyl-2-Oxovaleric acid

Reference substances of 4-Methyl-2-Oxovaleric acid

Isotopomers and stereoisomers of 4-Methyl-2-Oxovaleric acid

Quantitative 4-Methyl-2-Oxovaleric acid Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative 4-Methyl-2-Oxovaleric acid Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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